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CAS No.: | 878194-93-5 |
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Name: | 2-CYANO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H15BN2O2 |
Molecular Weight: | 230.074 |
Synonyms: | 2-Cyanopyridine-3-boronic acid pinacol ester;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile; |
Density: | 1.1 g/cm3 |
Melting Point: | 58-61℃ |
Boiling Point: | 382.9 °C at 760 mmHg |
Flash Point: | 185.4 °C |
PSA: | 55.14000 |
LogP: | 1.25248 |
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The 2-Pyridinecarbonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 878194-93-5, is also known as 2-Cyanopyridine-3-boronic acid pinacol ester. This chemical's molecular formula is C12H15BN2O2 and molecular weight is 230.07. What's more, its systematic name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile.
Physical properties of 2-Pyridinecarbonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 55.14 Å2; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 61.82 cm3; (7)Molar Volume: 207.8 cm3; (8)Polarizability: 24.5×10-24cm3; (9)Surface Tension: 40.7 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 185.4 °C; (12)Enthalpy of Vaporization: 63.14 kJ/mol; (13)Boiling Point: 382.9 °C at 760 mmHg; (14)Vapour Pressure: 4.56E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ncccc2B1OC(C)(C)C(O1)(C)C
(2)InChI: InChI=1S/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)9-6-5-7-15-10(9)8-14/h5-7H,1-4H3
(3)InChIKey: CZYZGSPKMBKQBK-UHFFFAOYSA-N